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●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

Structure of PDB 9f3x Chain C Binding Site BS01

Receptor Information >9f3x Chain C (length=791) Species: 573 (Klebsiella pneumoniae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] EGLTPRMQRLRNHYLTVRPSVSIYRALAFTEVVKANPGMPTILLRAKAFR HACETAPILIQDDELIVGHPCGKPRAGAFSPDIAWRWVRDELDTMSTRPQ DPFEISEADKKTIREEIVPFWEGRSLDEICEAQYREAGVWAFSGETFVSD LSYHQINGGGDTCPGYDVLLFTKGMNGIKADAEAHLASLSMENPEDIDRI YYYKAAIETCEGVVNYARRIAAHARELAAKEQNAQRRAELLTIAEVNENV PANPPKTLQEALQSIWTVESLFEIEENQTGLSLGRVDQYCYPMFEADIRE GRLTHDTALELLQAFIIKCAELMWMSSELGAKYFAGYQPFINLTVGGQKR SGGDACNDLTYLIMDAVRFVKVYQPSLACRIHNQSPQKYMEKIVDVVKAG MGFPACHFDDSHIKMMLRKGFDFEDARDYCLMGCVEPQKSGRIYQWTSTG YTQWPIAIEFVLNRGRMVLFDSYQGLDTGDLRDLRTFDEFDAAVKQQIAH IVRLSAIGTVISQRVHRDVAPKPLMSLLVEGCMESGKDVAAGGAMVNHGP GLIFSGLATYVDSMAAIRKLVFEEKKYTLEQIRDALLANFEGYEALRRDC LNAPKYGNDDNYVDQYALDITEWTEKECRKYKMLYSTLSHGTLSISNNTP IGELTNATPNGRLAWMPLSDGISPTQGADKQGPTAIIKSVSKMNVETMNI GMVHNFKFLKGLLDTPEGRHGLITLLRTASILGNGQMQFSYVDNEVLKKA QQEPEKYRDLIVRVAGYSAYFVELCKEVQDEIISRTVIEKF

Ligand information Ligand ID A1H9K InChI InChI=1S/C7H16NO/c1-8(2,5-6-9)7-3-4-7/h7,9H,3-6H2,1-2H3/q+1 InChIKey BVCAJCAPSNWOCO-UHFFFAOYSA-N SMILES Software SMILES CACTVS 3.385 OpenEye OEToolkits 2.0.7 C[N+](C)(CCO)C1CC1 Formula C7 H16 N O Name cyclopropylcholine; cyclopropyl-(2-hydroxyethyl)-dimethyl-azanium; N-(2-hydroxyethyl)-N,N-dimethylcyclopropanaminium ChEMBL DrugBank ZINC PDB chain 9f3x Chain C Residue 1201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure summary [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] PDB 9f3x Towards automated crystallographic structure refinement with phenix.refine. Resolution 2.7 Å Binding residue (original residue number in PDB) Y490 D498 T616 F671 F677 C771 E773 T784 Binding residue (residue number reindexed from 1) Y153 D161 T279 F334 F340 C434 E436 T447 Annotation score 2

Enzymatic activity Enzyme Commision number 4.3.99.4: choline trimethylamine-lyase.

Gene Ontology Molecular Function GO:0003824 catalytic activity GO:0016829 lyase activity GO:0016840 carbon-nitrogen lyase activity

	Biological Process
GO:0042426	choline catabolic process

	Cellular Component
GO:0005829	cytosol

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